#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:51:18 +0300 (Thu, 24 May 2018) $
#$Revision: 832 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000321.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Raman Open Database (ROD),
# http://solsa.crystallography.net/rod/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1000321
loop_
_publ_author_name
'Biagioni, C.'
'Merlino, S.'
'Parodi, G. C.'
'Perchiazzi, N.'
_publ_section_title
;
 Crystal chemistry of minerals of the wohlerite group from the Los
 Archipelago, Guinea
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              593
_journal_page_last               609
_journal_paper_doi               10.3749/canmin.50.3.593
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'the nepheline syenites of the Los Archipelago, Guinea'
_chemical_formula_sum
'Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733'
_chemical_name_mineral           Lavenite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.392
_cell_angle_gamma                90
_cell_length_a                   10.8475
_cell_length_b                   9.9364
_cell_length_c                   7.1488
_cell_volume                     731.175
_exptl_crystal_density_diffrn    3.607
_cod_original_formula_sum
'Zr.733 Ti.477 Mn.79 (Ca.82 Na1.18) Si2 O7.75 F1.25'
_cod_database_code               9014318
_raman_determination_method      experimental
_raman_measurement_device.location 'Arizona University'
_raman_measurement_device.company 'Thermo Scientific'
_raman_measurement_device.model  'Nicolet Almega XR'
_raman_measurement_device.optics_type microscope
_raman_measurement_device.microscope_system dispersive
_raman_measurement_device.microscope_objective_magnification 50
_raman_measurement_device.microscope_numerical_aperture 0.5
_raman_measurement_device.excitation_laser_type other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 15
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1
_raman_measurement_device.diffraction_grating 400
_raman_measurement.environment   Air
_raman_measurement.environment_details
;
 The sample was measured in air.
;
_raman_measurement.temperature   300
_raman_measurement.pressure      100
_raman_measurement.background_subtraction no
_raman_measurement.background_subtraction_details
;
 No background subtraction method was applied.
;
_raman_measurement.baseline_correction no
_raman_measurement.baseline_correction_details
;
 No baseline correction method was applied.
;
_raman_measurement.integration_time 10
_rod_data_source.file            R120044.rod
_rod_data_source.block           3500000
_rod_database.code               1000321
loop_
_raman_complementary.id
_raman_complementary.method
1 XRD
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 neon_lamp
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 9014318 COD http://www.crystallography.net/cod/9014318.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
203.7896 0.0000000E+00
204.2717 0.9004360
204.7538 1.469879
205.2360 0.4579930
205.7181 0.2303620
206.2002 0.1367800
206.6823 1.759109
207.1644 2.920898
207.6465 3.374664
208.1287 3.317078
208.6108 3.332825
209.0929 3.385956
209.5750 3.583969
210.0571 4.080429
210.5392 5.012711
211.0214 5.586761
211.5035 5.652328
211.9856 5.340790
212.4677 5.087494
212.9498 4.865707
213.4319 4.766373
213.9140 4.913391
214.3962 5.445984
214.8783 5.722931
215.3604 5.617355
215.8425 5.226685
216.3246 4.946304
216.8067 4.832886
217.2889 4.714020
217.7710 4.445923
218.2531 3.910507
218.7352 3.576187
219.2173 3.543488
219.6994 3.736542
220.1816 3.800491
220.6637 3.690887
221.1458 3.525116
221.6279 3.368713
222.1100 3.212814
222.5921 3.083221
223.0743 2.983688
223.5564 2.912659
224.0385 2.894638
224.5206 3.056274
225.0027 3.080170
225.4848 2.682480
225.9670 1.496567
226.4491 0.8118590
226.9312 0.8779300
227.4133 1.534348
227.8954 2.014252
228.3775 2.229980
228.8597 2.385849
229.3418 2.610123
229.8239 2.969345
230.3060 3.231812
230.7881 3.332062
231.2702 3.312424
231.7524 3.359665
232.2345 3.403839
232.7166 3.599136
233.1987 4.075363
233.6808 5.054306
234.1629 5.802094
234.6451 6.191010
235.1272 6.308014
235.6093 6.554337
236.0914 7.009430
236.5735 7.484879
237.0556 7.861206
237.5378 8.034225
238.0199 8.362823
238.5020 9.009186
238.9841 9.837280
239.4662 10.20457
239.9483 9.712433
240.4305 9.316391
240.9126 9.583145
241.3947 10.96548
241.8768 12.02423
242.3589 12.65796
242.8410 12.93025
243.3232 13.02043
243.8053 12.71059
244.2874 12.51668
244.7695 12.71797
245.2516 13.48923
245.7337 14.27068
246.2159 15.13971
246.6980 15.99229
247.1801 16.38237
247.6622 15.74417
248.1443 15.49478
248.6264 16.54750
249.1086 20.13330
249.5907 21.97388
250.0728 21.19449
250.5549 18.86143
251.0370 17.89900
251.5191 19.09457
252.0013 20.41751
252.4834 20.94363
252.9655 20.27359
253.4476 19.83504
253.9297 19.60338
254.4118 19.61824
254.8940 19.97772
255.3761 20.75815
255.8582 21.75374
256.3403 23.03659
256.8224 24.99179
257.3046 25.85660
257.7867 25.14441
258.2688 23.64140
258.7509 22.90601
259.2330 23.25185
259.7151 23.73450
260.1973 24.03191
260.6794 24.13446
261.1615 24.05380
261.6436 23.62056
262.1257 23.08177
262.6078 22.67000
263.0900 22.34155
263.5721 22.27095
264.0542 22.65411
264.5363 23.60660
265.0184 24.20186
265.5005 24.41940
265.9827 24.33009
266.4648 23.92303
266.9469 22.98720
267.4290 22.36829
267.9111 22.42961
268.3932 23.22795
268.8754 23.72409
269.3575 23.82770
269.8396 23.76038
270.3217 23.81294
270.8038 24.03139
271.2859 24.16057
271.7681 24.03912
272.2502 23.68452
272.7323 23.81517
273.2144 24.67065
273.6965 25.51860
274.1786 25.39999
274.6608 24.06898
275.1429 23.11472
275.6250 23.02618
276.1071 23.67514
276.5892 24.07393
277.0714 24.15262
277.5535 24.16772
278.0356 24.41566
278.5177 24.93716
278.9998 25.23875
279.4819 25.13126
279.9641 24.74330
280.4462 24.70110
280.9283 25.08220
281.4104 25.47055
281.8925 25.46327
282.3746 25.05405
282.8568 24.78838
283.3389 24.77618
283.8210 24.95447
284.3031 25.20163
284.7852 25.54175
285.2673 25.79285
285.7495 25.69408
286.2316 25.29614
286.7137 25.27672
287.1958 25.81538
287.6779 26.63785
288.1600 27.20917
288.6422 27.52715
289.1243 27.72147
289.6064 27.58719
290.0885 27.28912
290.5706 27.88406
291.0527 29.68135
291.5349 31.85567
292.0170 33.27345
292.4991 33.92732
292.9812 33.89409
293.4633 32.65427
293.9454 30.70493
294.4276 29.74738
294.9097 29.99783
295.3918 30.72304
295.8739 31.06439
296.3560 31.09087
296.8381 31.13644
297.3203 31.43503
297.8024 31.84850
298.2845 32.15787
298.7666 32.37509
299.2487 32.32901
299.7308 31.49959
300.2130 30.21051
300.6951 29.40977
301.1772 29.82761
301.6593 30.77405
302.1414 31.39160
302.6235 31.67416
303.1057 31.55292
303.5878 30.71504
304.0699 29.45897
304.5520 28.36050
305.0341 27.61685
305.5162 27.07536
305.9984 26.60950
306.4805 26.21965
306.9626 25.84605
307.4447 25.45261
307.9268 25.06259
308.4089 24.73622
308.8911 24.52933
309.3732 24.27571
309.8553 23.78447
310.3374 23.12782
310.8195 22.52542
311.3016 22.15176
311.7838 21.84607
312.2659 21.44600
312.7480 20.96867
313.2301 20.38216
313.7122 19.62366
314.1943 18.72192
314.6765 17.76773
315.1586 16.52251
315.6407 15.44946
316.1228 14.94420
316.6049 15.20769
317.0870 15.35362
317.5692 14.90990
318.0513 14.14258
318.5334 13.42767
319.0155 12.93884
319.4976 12.44128
319.9797 11.83501
320.4619 11.11938
320.9440 10.43832
321.4261 9.830582
321.9082 9.294785
322.3903 8.830521
322.8724 8.346619
323.3546 8.022873
323.8367 8.002716
324.3188 8.259262
324.8009 8.338974
325.2830 8.144562
325.7651 7.752869
326.2473 7.231491
326.7294 6.474167
327.2115 5.746826
327.6936 5.026520
328.1757 4.344101
328.6578 3.823654
329.1400 3.446152
329.6221 3.255371
330.1042 3.282135
330.5863 3.718521
331.0684 4.063263
331.5505 4.359604
332.0327 4.552734
332.5148 4.498383
332.9969 3.973022
333.4790 3.484650
333.9611 3.175232
334.4432 3.039307
334.9254 3.103149
335.4075 3.464111
335.8896 3.933945
336.3717 4.262909
336.8538 4.432495
337.3359 4.493225
337.8180 4.449051
338.3001 4.303024
338.7823 4.082779
339.2644 3.761734
339.7465 3.434677
340.2286 3.181412
340.7107 3.003708
341.1928 2.943787
341.6750 3.073929
342.1571 3.315826
342.6392 3.320709
343.1213 3.046524
343.6034 2.762589
344.0855 2.683701
344.5677 2.802200
345.0498 2.883072
345.5319 2.902939
346.0140 2.866241
346.4961 2.793854
346.9782 2.684982
347.4604 2.488892
347.9425 1.955185
348.4246 1.276276
348.9067 1.343552
349.3888 2.337006
349.8709 3.412140
350.3531 3.319839
350.8352 2.370712
351.3173 1.721130
351.7994 2.234406
352.2815 3.229523
352.7636 3.518204
353.2458 3.098511
353.7279 2.520248
354.2100 2.203430
354.6921 2.049118
355.1742 1.880844
355.6563 1.562469
356.1385 1.288910
356.6206 1.306961
357.1027 1.561111
357.5848 1.780273
358.0669 1.888794
358.5490 1.843948
359.0312 1.567551
359.5133 0.9314580
359.9954 0.3184200
360.4775 2.3848999E-02
360.9596 0.1826170
361.4417 0.3376920
361.9239 0.6762850
362.4060 0.9451750
362.8881 0.9517970
363.3702 0.6129300
363.8523 0.3534850
364.3344 0.3142240
364.8166 0.4252620
365.2987 0.6096650
365.7808 1.053848
366.2629 1.357651
366.7450 1.313263
367.2271 0.9231570
367.7093 0.7149660
368.1914 0.9920810
368.6735 1.319962
369.1556 1.415878
369.6377 0.8810120
370.1198 0.6036990
370.6020 0.7932130
371.0841 1.291138
371.5662 1.513046
372.0483 1.278778
372.5304 0.9876400
373.0125 0.8128200
373.4947 0.8323970
373.9768 0.7381740
374.4589 0.4625090
374.9410 0.1268620
375.4231 3.8132001E-02
375.9052 7.2861001E-02
376.3874 3.7338000E-02
376.8695 0.3770450
377.3516 1.158508
377.8337 1.473740
378.3158 1.239670
378.7979 0.7971500
379.2801 0.4546050
379.7622 0.2120060
380.2443 1.4755000E-02
380.7264 0.1720580
381.2085 0.3037260
381.6906 0.2777100
382.1728 9.6390001E-02
382.6549 0.2451780
383.1370 0.9472660
383.6191 1.852371
384.1012 2.227173
384.5833 1.886200
385.0655 1.384750
385.5476 1.483200
386.0297 2.058578
386.5118 2.668320
386.9939 3.006088
387.4760 3.293777
387.9582 3.974609
388.4403 5.067459
388.9224 6.018143
389.4045 6.232178
389.8866 6.058075
390.3687 5.992828
390.8509 6.339798
391.3330 6.699799
391.8151 6.660706
392.2972 6.351334
392.7793 6.289169
393.2614 6.985519
393.7436 7.861755
394.2257 8.507523
394.7078 8.765213
395.1899 8.985809
395.6720 9.233612
396.1541 9.530914
396.6363 9.914612
397.1184 10.40791
397.6005 10.97342
398.0826 11.70021
398.5647 12.64911
399.0468 13.24612
399.5290 13.02841
400.0111 12.66501
400.4932 12.69513
400.9753 13.43903
401.4574 14.15530
401.9395 14.78992
402.4217 15.34950
402.9038 15.83289
403.3859 16.14636
403.8680 16.52313
404.3501 17.12372
404.8322 18.07555
405.3144 18.79462
405.7965 19.26917
406.2786 19.51659
406.7607 19.46564
407.2428 19.02919
407.7249 18.77753
408.2071 18.97755
408.6892 19.54060
409.1713 19.82613
409.6534 19.77084
410.1355 19.81146
410.6176 20.53217
411.0998 21.78380
411.5819 22.66731
412.0640 22.96054
412.5461 22.88885
413.0282 22.74876
413.5103 22.54907
413.9925 22.33951
414.4746 22.15971
414.9567 21.98175
415.4388 21.74648
415.9209 21.43782
416.4030 21.15744
416.8852 21.04370
417.3673 21.00433
417.8494 20.88821
418.3315 20.41466
418.8136 20.01807
419.2957 20.13536
419.7779 20.65654
420.2600 20.93410
420.7421 20.53293
421.2242 19.90834
421.7063 19.33578
422.1884 18.66806
422.6706 18.36522
423.1527 18.87682
423.6348 19.76924
424.1169 20.26735
424.5990 20.05815
425.0811 19.69846
425.5633 19.20808
426.0454 18.47363
426.5275 18.18073
427.0096 18.72763
427.4917 19.46013
427.9738 19.75357
428.4560 19.22067
428.9381 18.96935
429.4202 19.32121
429.9023 20.04817
430.3844 20.23453
430.8665 19.69911
431.3487 19.08931
431.8308 18.74986
432.3129 18.70906
432.7950 18.66594
433.2771 18.60823
433.7592 18.53288
434.2414 18.48590
434.7235 18.47372
435.2056 18.41188
435.6877 18.16965
436.1698 17.90326
436.6519 18.06334
437.1341 18.61887
437.6162 19.01578
438.0983 18.73373
438.5804 18.03819
439.0625 17.36803
439.5446 16.79198
440.0268 16.33954
440.5089 16.09792
440.9910 15.98904
441.4731 15.82150
441.9552 15.53058
442.4373 15.17717
442.9195 14.72308
443.4016 14.18413
443.8837 13.78951
444.3658 13.74336
444.8479 13.82417
445.3300 13.85999
445.8122 13.87619
446.2943 13.76688
446.7764 13.38333
447.2585 12.85898
447.7406 12.51871
448.2227 12.82487
448.7049 12.87996
449.1870 12.31589
449.6691 10.97682
450.1512 9.990494
450.6333 9.408142
451.1154 9.137802
451.5976 9.181610
452.0797 9.705017
452.5618 9.974319
453.0439 9.815948
453.5260 9.368759
454.0081 9.018250
454.4903 8.765594
454.9724 8.602859
455.4545 8.528122
455.9366 8.539047
456.4187 8.669891
456.9008 8.951828
457.3830 9.173645
457.8651 8.899460
458.3472 8.321899
458.8293 8.105316
459.3114 8.663864
459.7935 9.475510
460.2757 9.942047
460.7578 10.09062
461.2399 10.08299
461.7220 9.963303
462.2041 9.765427
462.6862 9.455750
463.1684 8.958023
463.6505 8.684204
464.1326 9.073212
464.6147 9.748184
465.0968 10.22765
465.5789 10.37596
466.0611 10.29561
466.5432 9.850296
467.0253 9.099930
467.5074 8.643188
467.9895 8.848007
468.4716 9.123657
468.9538 9.200165
469.4359 9.039841
469.9180 8.747543
470.4001 8.211029
470.8822 7.613861
471.3643 7.223434
471.8465 7.060394
472.3286 7.048096
472.8107 7.223083
473.2928 7.534637
473.7749 7.748947
474.2570 7.887756
474.7392 7.798737
475.2213 7.168457
475.7034 6.118103
476.1855 5.519638
476.6676 5.525848
477.1497 5.789795
477.6319 5.945740
478.1140 5.990997
478.5961 5.908142
479.0782 5.647720
479.5603 5.282150
480.0424 4.820145
480.5246 4.284439
481.0067 3.875000
481.4888 3.842117
481.9709 3.919708
482.4530 3.860168
482.9352 3.553177
483.4173 3.259521
483.8994 3.132965
484.3815 3.070587
484.8636 2.918121
485.3457 2.618835
485.8279 2.247803
486.3100 1.751755
486.7921 1.133606
487.2742 0.7195130
487.7563 0.5739290
488.2384 0.5671540
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489.2027 1.023590
489.6848 1.095200
490.1669 0.7970120
490.6490 0.3057710
491.1311 0.1561890
491.6133 0.6066590
492.0954 0.8663640
492.5775 0.8093410
493.0596 0.5388180
493.5417 0.4486850
494.0238 0.5428620
494.5060 0.6766510
494.9881 0.7831730
495.4702 0.8480380
495.9523 0.8074650
496.4344 0.6297910
496.9165 0.4655460
497.3987 0.5613860
497.8808 0.7705840
498.3629 0.8131100
498.8450 0.3251500
499.3271 0.1600040
499.8092 0.2150270
500.2914 7.7483997E-02
500.7735 0.2659000
501.2556 9.7594999E-02
501.7377 0.1729580
502.2198 0.4274750
502.7019 0.7230380
503.1841 0.8266450
503.6662 0.5064090
504.1483 6.6620000E-02
504.6304 0.1389310
505.1125 1.6586000E-02
505.5946 0.1962890
506.0768 0.5145570
506.5589 0.8997500
507.0410 1.184250
507.5231 1.386734
508.0052 1.432053
508.4873 1.148438
508.9695 0.5333400
509.4516 0.3802950
509.9337 0.7609560
510.4158 1.317413
510.8979 1.656479
511.3800 1.818909
511.8622 1.981613
512.3443 2.217529
512.8264 2.437531
513.3085 2.546280
513.7906 2.545441
514.2728 2.439133
514.7549 1.951904
515.2370 1.542755
515.7191 1.766876
516.2012 2.707504
516.6833 3.406464
517.1655 3.128006
517.6476 2.576523
518.1297 2.355438
518.6118 2.832718
519.0939 3.346069
519.5760 3.829178
520.0582 4.277740
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